SCHEMBL28965153

SCHEMBL28965153

CCOC(=O)c1ccc2nn(-c3ccc(OC)cc3O)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
MAPT P10636 3/20 0.50
NLRP3 Q96P20 1/20 0.50
HSD17B2 P37059 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
RAB9A P51151 3/20 0.43
CYP3A4 P08684 1/20 0.43
STS P08842 1/20 0.43
PDE4D Q08499 1/20 0.43
MAOB P27338 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28959410 0.91 CA12 (0.47) NPC1MAPTNLRP3HSD17B2CA12
SCHEMBL21630100 0.89 CA1 (0.45) NPC1MAPTCA12CA1CA2
SCHEMBL29881754 0.89 CA1 (0.45) NPC1MAPTCA12CA1CA2
SCHEMBL28959412 0.88 STS (0.48) NPC1MAPTALDH1A1ESR1RAB9A
SCHEMBL29881125 0.85 KDM4E (0.49) NPC1CA1CA2HPGDKDM4E
SCHEMBL21630095 0.85 KDM4E (0.49) NPC1CA1CA2HPGDKDM4E
SCHEMBL21630098 0.85 MAPT (0.40) NPC1MAPTNLRP3HSD17B2HPGD
SCHEMBL21630084 0.85 MAPT (0.40) NPC1MAPTNLRP3HSD17B2KDM4E
SCHEMBL29880921 0.85 MAPT (0.40) NPC1MAPTNLRP3HSD17B2KDM4E
SCHEMBL21630096 0.85 ALDH1A1 (0.52) NPC1MAPTNLRP3HSD17B2CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115769131-A Glasses lens 豪雅镜片泰国有限公司 2023-03-07 CN claimed
CN-115769130-A Glasses lens 豪雅镜片泰国有限公司 2023-03-07 CN disclosed
CN-115769131-A Glasses lens 豪雅镜片泰国有限公司 2023-03-07 CN disclosed
CN-115720640-A Glasses lens 豪雅镜片泰国有限公司 2023-02-28 CN disclosed